N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine

C16H22N4 — CID 122561201

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1ncc(C(C)C)c(NCc2ccc(CN)cc2)n1
InChIInChI=1S/C16H22N4/c1-11(2)15-10-18-12(3)20-16(15)19-9-14-6-4-13(8-17)5-7-14/h4-7,10-11H,8-9,17H2,1-3H3,(H,18,19,20)
InChIKeyYWYNVSVFLFDTFW-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.98
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine

N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 122561201) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID122561201
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCc1ncc(C(C)C)c(NCc2ccc(CN)cc2)n1
InChIInChI=1S/C16H22N4/c1-11(2)15-10-18-12(3)20-16(15)19-9-14-6-4-13(8-17)5-7-14/h4-7,10-11H,8-9,17H2,1-3H3,(H,18,19,20)
InChIKeyYWYNVSVFLFDTFW-UHFFFAOYSA-N
XLogP2.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzylamino)pyridine
CID 23362
Msx-122
CID 11687907
WZ 811
CID 11565518
5-Phenyl-2,4-pyrimidinediamine
CID 134761
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
4-Pyrimidinamine, N-(1R,2R,4S)-bicyclo(2.2.1)hept-2-yl-2-methyl-5-(4-(trifluoromethyl)phenyl)-
CID 56940925
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-
CID 854382
2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 25070582
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine (CID 122561201) is N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine is Cc1ncc(C(C)C)c(NCc2ccc(CN)cc2)n1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is YWYNVSVFLFDTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)15-10-18-12(3)20-16(15)19-9-14-6-4-13(8-17)5-7-14/h4-7,10-11H,8-9,17H2,1-3H3,(H,18,19,20).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine?
N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 122561201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).